4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide

C18H19N3O3 — CID 110793054

IUPAC4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CCO3)cc1
InChIInChI=1S/C18H19N3O3/c1-21(2)14-6-3-12(4-7-14)18(23)19-13-5-8-16-15(11-13)20-17(22)9-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYKKFXTNZADUJGG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds3

About 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide

4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide (PubChem CID 110793054) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
PubChem CID110793054
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CCO3)cc1
InChIInChI=1S/C18H19N3O3/c1-21(2)14-6-3-12(4-7-14)18(23)19-13-5-8-16-15(11-13)20-17(22)9-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYKKFXTNZADUJGG-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
3-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110778268
(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 82494236
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoic acid
CID 98034722
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
methyl 4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoate
CID 110778236
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide (CID 110793054) is 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide is CN(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CCO3)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide?
The InChIKey is YKKFXTNZADUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(2)14-6-3-12(4-7-14)18(23)19-13-5-8-16-15(11-13)20-17(22)9-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide?
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide is sourced from PubChem (CID 110793054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).